1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide

C12H23N3O2 — CID 114284287

IUPAC1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
SMILESCCOC1(C(N)=NO)CCN(CC2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(11(13)14-16)5-7-15(8-6-12)9-10-3-4-10/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyXPAGTAMYUWRGRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.01
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide

1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 114284287) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
PubChem CID114284287
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
SMILESCCOC1(C(N)=NO)CCN(CC2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-2-17-12(11(13)14-16)5-7-15(8-6-12)9-10-3-4-10/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyXPAGTAMYUWRGRL-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
1-ethoxy-N',4-dimethylcyclohexane-1-carboximidamide
CID 116779952
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid
CID 165478570
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
N-[[1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 102736850
1-ethoxy-4,4-dimethyl-N'-(2-methylpropyl)cyclohexane-1-carboximidamide
CID 116780063

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide (CID 114284287) is 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide is CCOC1(C(N)=NO)CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is XPAGTAMYUWRGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-17-12(11(13)14-16)5-7-15(8-6-12)9-10-3-4-10/h10,16H,2-9H2,1H3,(H2,13,14).
What are the key properties of 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide?
1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 114284287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).